2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine

C19H23F2NO3 — CID 162430094

IUPAC2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1cc(C(F)F)c(OC)cc1CCNCc1ccccc1OC
InChIInChI=1S/C19H23F2NO3/c1-23-16-7-5-4-6-14(16)12-22-9-8-13-10-18(25-3)15(19(20)21)11-17(13)24-2/h4-7,10-11,19,22H,8-9,12H2,1-3H3
InChIKeyIYOWZTFIOCPZEO-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.98
Rot. Bonds9

About 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine

2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine (PubChem CID 162430094) has the molecular formula C19H23F2NO3 and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
PubChem CID162430094
Molecular FormulaC19H23F2NO3
Molecular Weight351.39 g/mol
Exact Mass351.16
IUPAC Name2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1cc(C(F)F)c(OC)cc1CCNCc1ccccc1OC
InChIInChI=1S/C19H23F2NO3/c1-23-16-7-5-4-6-14(16)12-22-9-8-13-10-18(25-3)15(19(20)21)11-17(13)24-2/h4-7,10-11,19,22H,8-9,12H2,1-3H3
InChIKeyIYOWZTFIOCPZEO-UHFFFAOYSA-N
XLogP3.98
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine
CID 117364649
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
2-[2,5-dimethoxy-4-(methylsulfonimidoyl)phenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
CID 171797156
2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 165123651
2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
CID 10001761
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207210
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66530888
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66530984
1-[(2-methoxyphenyl)methylamino]pentan-3-ol
CID 115703090

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine (CID 162430094) is 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine is COc1cc(C(F)F)c(OC)cc1CCNCc1ccccc1OC.
What is the InChIKey of 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is IYOWZTFIOCPZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO3/c1-23-16-7-5-4-6-14(16)12-22-9-8-13-10-18(25-3)15(19(20)21)11-17(13)24-2/h4-7,10-11,19,22H,8-9,12H2,1-3H3.
What are the key properties of 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine?
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 351.39 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 162430094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).